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N~3~-{3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)propanoyl}-N-pyridin-2-yl-beta-alaninamide

Catalog ID
STL552408
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccccn1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C36H41N3O8 MW 643.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N3O8/c1-23-9-8-12-26(40)11-5-3-4-10-25-21-29(41)34(35(44)33(25)36(45)47-23)28(24-14-16-27(46-2)17-15-24)22-32(43)38-20-18-31(42)39-30-13-6-7-19-37-30/h4,6-7,10,13-17,19,21,23,28,41,44H,3,5,8-9,11-12,18,20,22H2,1-2H3,(H,38,43)(H,37,39,42)/b1
InChIKey
CCMNCCLEZZHGAI-GYDWINPNSA-N
Synonyms

135640648
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(3oxo3(pyridin2ylamino)propyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(3oxo3(pyridin2ylamino)propyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1ccccn1
InChI=1SC36H41N3O8c123981226(40)1153410252129(41)34(35(44)33(25)36(45)4723)28(24141627(462)171524)2232(43)38201831(42)39301367193730h467101317192123284144H35891112182022H212H3(H3843)(H373942)b104+t2328?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)Npyridin2ylbetaalaninamide
ZINC001772492939
ZINC001772492940

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Available files

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